SCHEMBL1486588

SCHEMBL1486588

O=C(O)NCCCCNc1c([N+](=O)[O-])cnc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NMT1 P30419 5/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NMT2 O60551 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSR P00390 1/20 0.42
ATM Q13315 1/20 0.41
HDAC3 O15379 1/20 0.41
APP P05067 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1486586 1.00 MAPT (0.46) MAPTSMN1; SMN2TP53NMT1LMNA
SCHEMBL1486464 0.93 MEN1 (0.42) MAPTLMNAHPGDBACE1TDP1
SCHEMBL1486461 0.93 MEN1 (0.42) MAPTLMNAHPGDBACE1TDP1
SCHEMBL1231815 0.91 MAPT (0.42) MAPTLMNAHPGDBACE1TDP1
SCHEMBL1231816 0.91 MAPT (0.42) MAPTLMNAHPGDBACE1TDP1
SCHEMBL1486503 0.90 MAPT (0.43) MAPTSMN1; SMN2TP53NMT1LMNA
SCHEMBL1486620 0.89 PIN1 (0.42) MAPTSMN1; SMN2TP53NMT1LMNA
SCHEMBL1231886 0.87 MAPT (0.43) MAPTNMT1LMNAHPGDALDH1A1
SCHEMBL1231888 0.87 MAPT (0.43) MAPTNMT1LMNAHPGDALDH1A1
SCHEMBL1486714 0.85 NMT1 (0.46) MAPTSMN1; SMN2TP53NMT1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 MAPT 4765/4885SMN1; SMN2 4043/4885TP53 165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.